4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline

C15H24N2O — CID 10332272

IUPAC4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline
SMILESC=CCc1cc(N)ccc1OCCCNC(C)C
InChIInChI=1S/C15H24N2O/c1-4-6-13-11-14(16)7-8-15(13)18-10-5-9-17-12(2)3/h4,7-8,11-12,17H,1,5-6,9-10,16H2,2-3H3
InChIKeySRCUGWXVFCJTLG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.76
Rot. Bonds8

About 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline

4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline (PubChem CID 10332272) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline.

Molecular Properties

Compound Name4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline
PubChem CID10332272
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline
SMILESC=CCc1cc(N)ccc1OCCCNC(C)C
InChIInChI=1S/C15H24N2O/c1-4-6-13-11-14(16)7-8-15(13)18-10-5-9-17-12(2)3/h4,7-8,11-12,17H,1,5-6,9-10,16H2,2-3H3
InChIKeySRCUGWXVFCJTLG-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-2-prop-2-enylphenoxy)-N-propan-2-ylpropan-1-amine;oxalic acid
CID 2922806
1-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]butan-1-one
CID 10590566
4-[(E)-but-2-enoxy]-3-prop-2-enylaniline
CID 107898642
N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine
CID 2297543
N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
N-(3-methoxypropyl)-4-(4-methyl-2-prop-2-enylphenoxy)butan-1-amine
CID 2581626
(2S)-N-[2-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2181758
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63217089
1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol
CID 21493566

Frequently Asked Questions

What is the IUPAC name of 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline?
The IUPAC name of 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline (CID 10332272) is 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline.
What is the SMILES notation for 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline?
The canonical SMILES for 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline is C=CCc1cc(N)ccc1OCCCNC(C)C.
What is the InChIKey of 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline?
The InChIKey is SRCUGWXVFCJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-13-11-14(16)7-8-15(13)18-10-5-9-17-12(2)3/h4,7-8,11-12,17H,1,5-6,9-10,16H2,2-3H3.
What are the key properties of 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline?
4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline is sourced from PubChem (CID 10332272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).